(Q105211008)

English

(4S,4aS,5R,6S,8aR)-3,4a-dimethyl-4-[(E)-2-methylbut-2-enoyl]oxy-6-(3-methylbut-2-enoyloxy)-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-5-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3,4a-dimethyl-4-(2-methylbut-2-enoyloxy)-6-(3-methylbut-2-enoyloxy)-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

444.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₇

0 references

canonical SMILES

O=C(OC1CCC2CC=3OC=C(C3C(OC(=O)C(=CC)C)C2(C)C1C(=O)O)C)C=C(C)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C(=O)O)[C@@]12C

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found in taxon

Othonna quercifolia

1 reference

stated in

Natürlich vorkommende Terpen-Derivate, XLII. Neue Sesquiterpene der GattungOthonna

Identifiers

InChI

InChI=1S/C25H32O7/c1-7-14(4)24(29)32-22-20-15(5)12-30-18(20)11-16-8-9-17(31-19(26)10-13(2)3)21(23(27)28)25(16,22)6/h7,10,12,16-17,21-22H,8-9,11H2,1-6H3,(H,27,28)/b14-7+/t16-,17+,21-,22-,25+/m1/s1

0 references

InChIKey

PLKXEAMWXHMZJS-BVMMUAHDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PLKXEAMWXHMZJS-BVMMUAHDSA-N

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